Chemical ID: 3986923

Cc1c(c(nn1c2ccc(cc2)Cl)c3ccncc3)C(=O)O
Chemical ID:
3986923
Name [?]:
1-(4-chlorophenyl)-5-methyl-3-(4-pyridyl)pyrazole-4-carboxylic acid
SMILES [?]:
Cc1c(c(nn1c2ccc(cc2)Cl)c3ccncc3)C(=O)O
InChi [?]:
InChI=1/C16H12ClN3O2/c1-10-14(16(21)22)15(11-6-8-18-9-7-11)19-20(10)13-4-2-12(17)3-5-13/h2-9H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,9,11,8,12,15,19,16,18,2,14,10,7,3,4,20,13,17,5,6,21,22/E:(2,3)(4,5)(6,7)(8,9)(21,22)/rA:22nCCCCNNCCCCCCClCCCNCCCOO/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s4;s14;d15;s16;d17;d14s18;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.58013
Area:503.658
Solvation:-3.01133
Coulombic:-36.9325
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.738
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):1.99

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Descriptor Annotations

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